SCHEMBL13801296

SCHEMBL13801296

NC(=O)Nc1ccccc1NC1CCN(C=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 2/20 0.46
BRD4 O60885 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 4/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.36
TYK2 P29597 1/20 0.36
PAK1 Q13153 1/20 0.35
AKR1C1 Q04828 1/20 0.35
CTSL P07711 1/20 0.35
CTSK P43235 1/20 0.35
EPHX2 P34913 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14141237 0.88 MAPK3 (0.44) MAPK3BRD4KMT2AHTTSMN1; SMN2
SCHEMBL14410206 0.79 ALDH1A1 (0.56) MAPT
SCHEMBL14417232 0.76 CHEK1 (0.48) BRD4KMT2AMEN1HTTSMN1; SMN2
SCHEMBL27927468 0.74 CARM1 (0.51) BRD4KDM4ECTSLCTSK
SCHEMBL13801279 0.73 LTA4H (0.38) HTTTSHREPHX2
SCHEMBL22605778 0.73 ALDH1A1 (0.45) HTTSMN1; SMN2KDM4EMAPTTSHR
SCHEMBL13801304 0.72 BRD4 (0.39) MAPK3BRD4KMT2AKDM4EGAA
SCHEMBL14639693 0.71 CHRM3 (0.42) BRD4KMT2AKDM4EGAAMAPK1
SCHEMBL9965448 0.71 BRD4 (0.42) MAPK3BRD4KMT2AMEN1SMN1; SMN2
SCHEMBL3951800 0.71 KDM4E (0.49) KMT2AMEN1HTTSMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS MAPK3 3498/4885BRD4 4776/4885KMT2A 2685/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.